Ethyl (3S)-3-(4-hydroxyphenyl)hex-4-ynoate

HCID 67087065

기본 정보

표준 SMILES
CC#C[C@@H](CC(=O)OCC)c1ccc(O)cc1
InChIKey
IHSMNXDTRPKCCG-LBPRGKRZSA-N
분자식
C14H16O3
평균 분자량
232.27 g/mol
단동위원소 질량
232.10994437

이름 및 식별자

우선 이름
Ethyl (3S)-3-(4-hydroxyphenyl)hex-4-ynoate
IUPAC
ethyl (3S)-3-(4-hydroxyphenyl)hex-4-ynoate

이름 및 동의어

1292290-97-1Ethyl (3S)-3-(4-hydroxyphenyl)hex-4-ynoate(S)-Ethyl 3-(4-hydroxyphenyl)hex-4-ynoate(3S)-3-(4-Hydroxyphenyl)-4-hexynoic acid ethyl esterMFCD27956896ethyl (S)-3-(4-hydroxyphenyl)hex-4-ynoateBenzenepropanoic acid, 4-hydroxy-beta-1-propyn-1-yl-, ethyl ester, (betaS)-(S)-3-(4-Hydroxyphenyl)-4-hexynoic acid ethyl ester(3S)?-?3-?(4-?Hydroxyphenyl)?-?4-?hexynoic acid ethyl esterSCHEMBL1587136IHSMNXDTRPKCCG-LBPRGKRZSA-NCS-B1146
이름 더 보기
EOS-61961AKOS025290913AS-52025(S)-Ethyl3-(4-hydroxyphenyl)hex-4-ynoateethyl(3S)-3-(4-hydroxyphenyl)hex-4-ynateethyl(S)-3-(4-hydroxyphenyl)hex-4-ynoate(S)-ethyl 3-(4-hydroxyphenyl)hex-4-inoate(3S)-ethyl 3-(4-hydroxyphenyl)hex-4-ynoate

데이터베이스 식별자

PubChem CID
67087065

물성

구조 계산 물성

XLogP
2.6
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
5
무거운 원자 수
17

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